2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine

C16H22F3NO — CID 77084927

IUPAC2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine
SMILESCOCCCC1CCCCN1Cc1c(F)cc(F)cc1F
InChIInChI=1S/C16H22F3NO/c1-21-8-4-6-13-5-2-3-7-20(13)11-14-15(18)9-12(17)10-16(14)19/h9-10,13H,2-8,11H2,1H3
InChIKeyNWGVFILNNDBZSW-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.88
Rot. Bonds6

About 2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine

2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine (PubChem CID 77084927) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine
PubChem CID77084927
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine
SMILESCOCCCC1CCCCN1Cc1c(F)cc(F)cc1F
InChIInChI=1S/C16H22F3NO/c1-21-8-4-6-13-5-2-3-7-20(13)11-14-15(18)9-12(17)10-16(14)19/h9-10,13H,2-8,11H2,1H3
InChIKeyNWGVFILNNDBZSW-UHFFFAOYSA-N
XLogP3.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine
CID 134712618
2-[2-(3-methoxypropyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 134711652
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
2-(3-methoxypropyl)-1-pentylpyrrolidine
CID 167067724
1-[(3-fluorophenyl)methyl]-2-(methoxymethyl)piperidine
CID 136545800
(2R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-(2-methoxyethyl)piperidine
CID 95132690
2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine
CID 95873253
(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
CID 95727213
[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 114933196
2-(3-bromopropyl)-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 80691067
(2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide
CID 97279136

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine?
The IUPAC name of 2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine (CID 77084927) is 2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine.
What is the SMILES notation for 2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine?
The canonical SMILES for 2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine is COCCCC1CCCCN1Cc1c(F)cc(F)cc1F.
What is the InChIKey of 2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine?
The InChIKey is NWGVFILNNDBZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-21-8-4-6-13-5-2-3-7-20(13)11-14-15(18)9-12(17)10-16(14)19/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine?
2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine has a molecular weight of 301.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1-[(2,4,6-trifluorophenyl)methyl]piperidine is sourced from PubChem (CID 77084927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).